(phenylmethyl) 2-(dinitroamino)-3-(1-phenylimidazol-4-yl)propanoate

Systemtic Name: (phenylmethyl) 2-(dinitroamino)-3-(1-phenylimidazol-4-yl)propanoate Openeye Name: benzyl 2-(dinitroamino)-3-(1-phenylimidazol-4-yl)propanoate CAS Name: 2-(dinitroamino)-3-(1-phenyl-4-imidazolyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(dinitroamino)-3-(1-phenylimidazol-4-yl)propanoate Traditional Name: 2-(dinitroamino)-3-(1-phenylimidazol-4-yl)propionic acid benzyl ester Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CN(C=N2)C3=CC=CC=C3)N([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CN(C=N2)C3=CC=CC=C3)N([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6/c25-19(30-13-15-7-3-1-4-8-15)18(22(23(26)27)24(28)29)11-16-12-21(14-20-16)17-9-5-2-6-10-17/h1-10,12,14,18H,11,13H2